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Benzamide, N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-[(4-methyl-1-piperazinyl)sulfonyl]-
SpectraBase Compound ID 9JwhoSf351m
InChI InChI=1S/C21H22N4O6S/c1-24-5-7-25(8-6-24)32(27,28)20-10-14(3-4-17(20)29-2)21(26)23-16-11-19-18(30-13-31-19)9-15(16)12-22/h3-4,9-11H,5-8,13H2,1-2H3,(H,23,26)
InChIKey GLPPRTNFCZUEJU-UHFFFAOYSA-N
Mol Weight 458.49 g/mol
Molecular Formula C21H22N4O6S
Exact Mass 458.126006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CJQb6hFkEz
Name Benzamide, N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-[(4-methyl-1-piperazinyl)sulfonyl]-
Alternate Name(s) N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-methylpiperazin-1-yl)sulfonylbenzamide N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N4O6S
InChI InChI=1S/C21H22N4O6S/c1-24-5-7-25(8-6-24)32(27,28)20-10-14(3-4-17(20)29-2)21(26)23-16-11-19-18(30-13-31-19)9-15(16)12-22/h3-4,9-11H,5-8,13H2,1-2H3,(H,23,26)
InChIKey GLPPRTNFCZUEJU-UHFFFAOYSA-N
Molecular Weight 458.489 g/mol
SMILES N(c1c(C#N)cc2c(c1)OCO2)C(c1cc(S(N2CCN(C)CC2)(=O)=O)c(cc1)OC)=O
SPLASH splash10-0002-9200000000-e52d0e11c43891d7434a
Source of Spectrum IY-1-4601-9
Wiley ID 1654002